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GGA and GGA + U Study of ThMn(2)Si(2) and ThMn(2)Ge(2) Compounds in a Body-Centered Tetragonal Ferromagnetic Phase

Our study used the full-potential linearized augmented plane waves (FP-LAPW) method to conduct a first-principles evaluation of the structural, electronic, and magnetic properties of ThMn(2)X(2) (X = Si and Ge) compounds. To establish theoretical dependability with the currently available experiment...

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Detalles Bibliográficos
Autores principales: Khan, Abdul Ahad, Zada, Zeshan, Reshak, Ali H., Ishaq, Muhammad, Zada, Sabeen, Saqib, Muhammad, Ismail, Muhammad, Fazal-ur-Rehman, Muhammad, Murtaza, Ghulam, Zada, Shafqat, Ramli, Muhammad M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9609203/
https://www.ncbi.nlm.nih.gov/pubmed/36296662
http://dx.doi.org/10.3390/molecules27207070